SCHEMBL5512481

SCHEMBL5512481

CS(=O)(=O)c1ccc(NC(=O)c2ccc(OS(=O)(=O)c3cccc(F)c3)cc2)cc1Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.51
BCR P11274 6/20 0.51
PDGFRB P09619 3/20 0.51
HDAC3 O15379 2/20 0.51
KDR P35968 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
KIT P10721 2/20 0.48
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL716720 0.92 ABL1 (0.61) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL7039197 0.89 ABL1 (0.52) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL7038373 0.89 ABL1 (0.52) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL5176115 0.85 ABL1 (0.56) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL6275041 0.84 ABL1 (0.53) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL5175191 0.82 ABL1 (0.60) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL714550 0.81 ABL1 (0.62) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL6871374 0.80 ABL1 (0.58) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL717519 0.80 ABL1 (0.62) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL5972220 0.79 MEN1 (0.55) KDM4EALDH1A1PHGDHRAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758654-A1 USE OF C-KIT INHIBITORS FOR TREATING PLASMODIUM RELATED DISEASES AB Science (FR) 2007-03-07 EP disclosed
WO-2005102455-A1 USE OF C-KIT INHIBITORS FOR TREATING PLASMODIUM RELATED DISEASES AB SCIENCE (FR) 2005-11-03 WO disclosed